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	hartrees
Energy at 0K	-94.452655
Energy at 298.15K	-94.455537
HF Energy	-94.452655
Nuclear repulsion energy	32.494301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3409	3390	7.48	121.46	0.54	0.71
2	A'	3165	3147	85.42	523.59	0.31	0.48
3	A'	2810	2794	131.75	181.24	0.53	0.70
4	A'	1602	1593	1.55	38.70	0.44	0.61
5	A'	1416	1408	4.85	8.45	0.50	0.67
6	A'	1324	1316	14.24	2.96	0.75	0.86
7	A'	1022	1016	31.52	20.21	0.45	0.62
8	A"	1129	1122	11.23	1.29	0.75	0.86
9	A"	766	762	128.62	1.90	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.795
N2	0.063	-0.524
H3	-1.029	1.092
H4	-0.755	-1.168
H5	0.961	-1.027

	C1	N2	H3	H4	H5
C1		1.3188	1.1317	2.1265	2.0310
N2	1.3188		1.9503	1.0412	1.0287
H3	1.1317	1.9503		2.2765	2.9065
H4	2.1265	1.0412	2.2765		1.7212
H5	2.0310	1.0287	2.9065	1.7212

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	128.207		C1	N2	H5	119.290
N2	C1	H3	105.222		H4	N2	H5	112.503

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.227
2	N	0.003
3	H	0.025
4	H	0.080
5	H	0.120

	x	y	z	Total
	-1.118	-3.243	0.000	3.430
CHELPG
AIM
ESP

	x	y	z
x	3.039	-0.138	0.000
y	-0.138	4.115	0.000
z	0.000	0.000	1.610

<r²>	19.984
(<r²>)^1/2	4.470

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)